(E)-2-(2,4-dimethylphenyl)ethenesulfonic acid

C10H12O3S — CID 18457020

IUPAC(E)-2-(2,4-dimethylphenyl)ethenesulfonic acid
SMILESCc1ccc(/C=C/S(=O)(=O)O)c(C)c1
InChIInChI=1S/C10H12O3S/c1-8-3-4-10(9(2)7-8)5-6-14(11,12)13/h3-7H,1-2H3,(H,11,12,13)/b6-5+
InChIKeyGNHMTFMBVAXJES-AATRIKPKSA-N
MW212.27 g/mol
LogP2.16
Rot. Bonds2

About (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid

(E)-2-(2,4-dimethylphenyl)ethenesulfonic acid (PubChem CID 18457020) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid.

Molecular Properties

Compound Name(E)-2-(2,4-dimethylphenyl)ethenesulfonic acid
PubChem CID18457020
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name(E)-2-(2,4-dimethylphenyl)ethenesulfonic acid
SMILESCc1ccc(/C=C/S(=O)(=O)O)c(C)c1
InChIInChI=1S/C10H12O3S/c1-8-3-4-10(9(2)7-8)5-6-14(11,12)13/h3-7H,1-2H3,(H,11,12,13)/b6-5+
InChIKeyGNHMTFMBVAXJES-AATRIKPKSA-N
XLogP2.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid?
The IUPAC name of (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid (CID 18457020) is (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid.
What is the SMILES notation for (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid?
The canonical SMILES for (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid is Cc1ccc(/C=C/S(=O)(=O)O)c(C)c1.
What is the InChIKey of (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid?
The InChIKey is GNHMTFMBVAXJES-AATRIKPKSA-N. The full InChI is InChI=1S/C10H12O3S/c1-8-3-4-10(9(2)7-8)5-6-14(11,12)13/h3-7H,1-2H3,(H,11,12,13)/b6-5+.
What are the key properties of (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid?
(E)-2-(2,4-dimethylphenyl)ethenesulfonic acid has a molecular weight of 212.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,4-dimethylphenyl)ethenesulfonic acid is sourced from PubChem (CID 18457020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).